4-Amino-7-[(6R,7R)-2,7-Dihydroxy-2-Oxidotetrahydro-4H-Furo[3,2-D][1,3,2]Dioxaphosphinin-6-Yl]-7H-Pyrrolo[2,3-D]Pyrimidine-5-Carbonitrile
Properties
Property | Value |
---|---|
Formula | C12H12N5O6P |
IUPAC Name | 4-aminopyrrolo[2,3-d]pyrimidine-1,3,7-triium-5-carbonitrile; carbon; hydroxy(oxidooxy)phosphanide; λ1-carbane; λ2-carbane; methanone; dihydroxide |
Molecular Mass | 353.227 g·mol−1 |
Heat of Formation | -43.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 9.01 ± 1.08 D |
Volume | 331.09 Å 3 |
Surface Area | 296.81 Å 2 |
HOMO Energy | -9.61 ± 0.55 eV |
LUMO Energy | 1.39 ± eV |
Point Group Symmetry | C1 |
InChIKey | WCXYPZXNWAXKGR-QRKAXHLRSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | P C O N |